SCHEMBL8214372

SCHEMBL8214372

COc1ccc(P(CCCP(c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c2ccc(OC)cc2OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APLNR P35414 1/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
RAD52 P43351 1/20 0.43
ADRA1A P35348 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8722412 0.92 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL8335436 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8932172 0.83 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9150373 0.80 TRPV4 (0.42) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL667942 0.78 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL31240957 0.78 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL7993565 0.77 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18855065 0.76 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9838572 0.76 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2551708 0.76 HDAC3 (0.45) CA12CA1CA2CA7CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257663-B1 CATALYST COMPOSITIONS, OLEFIN/CO COPOLYMERIZATION PROCESS AND BISPHOSPHINE COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-01-15 EP claimed
EP-0257663-A2 Catalyst compositions, olefin/co copolymerization process and bisphosphine compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-03-02 EP claimed
EP-0877772-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS SHELL INT RESEARCH (NL) 2000-05-10 EP disclosed
EP-0733660-B1 Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL INT RESEARCH (NL) 1999-12-22 EP disclosed
EP-0733661-B1 Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL INT RESEARCH (NL) 1999-11-03 EP disclosed
EP-0742242-B1 Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL INT RESEARCH (NL) 1999-08-25 EP disclosed
WO-1999015575-A1 PROCESS FOR THE COPOLYMERISATION OF CARBON MONOXIDE WITH AN OLEFINICALLY UNSATURATED COMPOUND AND NEW COPOLYMERS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1999-04-01 WO disclosed
EP-0883644-A1 A PROCESS FOR THE PREPARATION OF COPOLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1998-12-16 EP disclosed
EP-0877772-A1 A PROCESS FOR THE PREPARATION OF COPOLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1998-11-18 EP disclosed
US-5741939-A Process for the copolymerization of carbon monoxide with an olefinically unsaturated compound SHELL OIL COMPANY (US) 1998-04-21 US disclosed
EP-0562698-B1 Novel olefin/CO copolymers SHELL INT RESEARCH (NL) 1997-09-24 EP disclosed
EP-0319083-A2 Polyketone polymer preparation SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-06-07 EP disclosed
EP-0315266-A1 Polyketone polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-05-10 EP disclosed
US-4818811-A Terpolymer of carbon monoxide and ethylenically unsaturated monomers SHELL OIL COMPANY (US) 1989-04-04 US disclosed
EP-0285218-A2 Removal of catalyst remnants from olefin/CO copolymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-10-05 EP disclosed
EP-0283092-A1 Process for removing palladium catalyst remnants from copolymers of carbon monoxide with one or more olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-21 EP disclosed
EP-0272728-A2 Process for the preparation of polymers of C0 and olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP disclosed
EP-0272727-A2 Novel polymers of carbon monoxide and alpha-olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP disclosed
EP-0269154-A2 Novel olefin/CO copolymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-01 EP disclosed
EP-0257663-A2 Catalyst compositions, olefin/co copolymerization process and bisphosphine compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-03-02 EP disclosed